lithium N,N-bis(trifluoromethylsulfonyl)sulfamate

C2F6LiNO7S3 — CID 153347503

IUPAClithium N,N-bis(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)([O-])N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF6NO7S3.Li/c3-1(4,5)17(10,11)9(19(14,15)16)18(12,13)2(6,7)8;/h(H,14,15,16);/q;+1/p-1
InChIKeyFDCPVUUXMKCQQG-UHFFFAOYSA-M
MW367.15 g/mol
LogP-3.55
Rot. Bonds3

About lithium N,N-bis(trifluoromethylsulfonyl)sulfamate

lithium N,N-bis(trifluoromethylsulfonyl)sulfamate (PubChem CID 153347503) has the molecular formula C2F6LiNO7S3 and a molecular weight of 367.15 g/mol. Its IUPAC name is lithium N,N-bis(trifluoromethylsulfonyl)sulfamate.

Molecular Properties

Compound Namelithium N,N-bis(trifluoromethylsulfonyl)sulfamate
PubChem CID153347503
Molecular FormulaC2F6LiNO7S3
Molecular Weight367.15 g/mol
Exact Mass366.89
IUPAC Namelithium N,N-bis(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)([O-])N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF6NO7S3.Li/c3-1(4,5)17(10,11)9(19(14,15)16)18(12,13)2(6,7)8;/h(H,14,15,16);/q;+1/p-1
InChIKeyFDCPVUUXMKCQQG-UHFFFAOYSA-M
XLogP-3.55
TPSA128.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 142567075
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,1-trifluoro-N-nitro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 165344300
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223

Frequently Asked Questions

What is the IUPAC name of lithium N,N-bis(trifluoromethylsulfonyl)sulfamate?
The IUPAC name of lithium N,N-bis(trifluoromethylsulfonyl)sulfamate (CID 153347503) is lithium N,N-bis(trifluoromethylsulfonyl)sulfamate.
What is the SMILES notation for lithium N,N-bis(trifluoromethylsulfonyl)sulfamate?
The canonical SMILES for lithium N,N-bis(trifluoromethylsulfonyl)sulfamate is O=S(=O)([O-])N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Li+].
What is the InChIKey of lithium N,N-bis(trifluoromethylsulfonyl)sulfamate?
The InChIKey is FDCPVUUXMKCQQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF6NO7S3.Li/c3-1(4,5)17(10,11)9(19(14,15)16)18(12,13)2(6,7)8;/h(H,14,15,16);/q;+1/p-1.
What are the key properties of lithium N,N-bis(trifluoromethylsulfonyl)sulfamate?
lithium N,N-bis(trifluoromethylsulfonyl)sulfamate has a molecular weight of 367.15 g/mol, XLogP of -3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-bis(trifluoromethylsulfonyl)sulfamate is sourced from PubChem (CID 153347503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).